6208-0073 Screening compound: 2-(1,3-benzothiazol-2-yl)-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-4-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione

6208-0073 Screening compound: 2-(1,3-benzothiazol-2-yl)-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-4-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione
6208-0073 Screening compound: 2-(1,3-benzothiazol-2-yl)-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-4-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0073
2-(1,3-benzothiazol-2-yl)-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-4-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6208-0073

Molecular Formula

C26H32N6O3S (C26 H32 N6 O3 S)

Compound Name

2-(1,3-benzothiazol-2-yl)-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-4-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione

IUPAC name

2-(13-benzothiazol-2-yl)-5-[2-(4-hexanoylpiperazin-1-yl)ethyl]-4-methyl-1H2H3H5H6H-pyrazolo[43-c]pyridine-36-dione

SMILES

CCCCCC(N1CCN(CCN(C(C)=C(C(NN2c3nc(cccc4)c4s3)=C3)C2=O)C3=O)CC1)=O

InChI

InChI=1S/C26H32N6O3S/c1-3-4-5-10-22(33)30-14-11-29(12-15-30)13-16-31-18(2)24-20(17-23(31)34)28-32(25(24)35)26-27-19-8-6-7-9-21(19)36-26/h6-9,17,28H,3-5,10-16H2,1-2H3

InChI Key

PWDYNBQZRITTAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03759837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.21

Polar Surface Area

74.957

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

6208-0073 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6208-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0073?
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What is the minimum amount of 6208-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0073
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6208-0073 available by request